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5-Benzyl-1,2,4-triazinane-3,6-dione

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5-Benzyl-1,2,4-triazinane-3,6-dione
SpectraBase Compound ID 13ArYO7YyH
InChI InChI=1S/C10H11N3O2/c14-9-8(11-10(15)13-12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,14)(H2,11,13,15)
InChIKey QQBPMMZWPWOGMI-UHFFFAOYSA-N
Mol Weight 205.22 g/mol
Molecular Formula C10H11N3O2
Exact Mass 205.085127 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6aPXqmPySmu
Name 5-Benzyl-1,2,4-triazinane-3,6-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.085126604 u
Formula C10H11N3O2
InChI InChI=1S/C10H11N3O2/c14-9-8(11-10(15)13-12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,14)(H2,11,13,15)
InChIKey QQBPMMZWPWOGMI-UHFFFAOYSA-N
Molecular Weight 205.217 g/mol
SMILES C1(NNC(C(N1)CC=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977809